2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

C21H32N2O3S — CID 55658478

IUPAC2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C21H32N2O3S/c1-3-17(2)18-6-4-5-7-19(18)26-14-20(24)22-15-21(8-13-27-16-21)23-9-11-25-12-10-23/h4-7,17H,3,8-16H2,1-2H3,(H,22,24)
InChIKeyDAWPZXIMDHEONU-UHFFFAOYSA-N
MW392.57 g/mol
LogP2.90
Rot. Bonds8

About 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide

2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide (PubChem CID 55658478) has the molecular formula C21H32N2O3S and a molecular weight of 392.57 g/mol. Its IUPAC name is 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
PubChem CID55658478
Molecular FormulaC21H32N2O3S
Molecular Weight392.57 g/mol
Exact Mass392.21
IUPAC Name2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
SMILESCCC(C)c1ccccc1OCC(=O)NCC1(N2CCOCC2)CCSC1
InChIInChI=1S/C21H32N2O3S/c1-3-17(2)18-6-4-5-7-19(18)26-14-20(24)22-15-21(8-13-27-16-21)23-9-11-25-12-10-23/h4-7,17H,3,8-16H2,1-2H3,(H,22,24)
InChIKeyDAWPZXIMDHEONU-UHFFFAOYSA-N
XLogP2.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.57
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide with MolForge

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Related Compounds

4-[[[2-[2-[(2S)-butan-2-yl]phenoxy]acetyl]amino]methyl]oxane-4-carboxamide
CID 94448403
2-benzhydryloxy-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154623
2-benzhydryloxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 39154620
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-2-(4-propanoylphenoxy)acetamide
CID 55658606
2-methoxy-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]benzamide
CID 39156035
2-(3-cyanophenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide
CID 47056038
2-(2-hydroxyphenyl)-N-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]acetamide
CID 124727496
1-[(2S)-1-hydroxybutan-2-yl]-3-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 95139939
2-(2-methylphenoxy)-N-[(1-morpholin-4-ylcyclobutyl)methyl]acetamide
CID 139027118
2-(2-butan-2-ylphenoxy)-N-(3-morpholin-4-ylphenyl)acetamide
CID 55952307
3-amino-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]butanamide;dihydrochloride
CID 119862806
1-[(1R)-1-(furan-2-yl)ethyl]-3-[[(3R)-3-morpholin-4-ylthiolan-3-yl]methyl]urea
CID 94028637

Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The IUPAC name of 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide (CID 55658478) is 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The canonical SMILES for 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide is CCC(C)c1ccccc1OCC(=O)NCC1(N2CCOCC2)CCSC1.
What is the InChIKey of 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
The InChIKey is DAWPZXIMDHEONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N2O3S/c1-3-17(2)18-6-4-5-7-19(18)26-14-20(24)22-15-21(8-13-27-16-21)23-9-11-25-12-10-23/h4-7,17H,3,8-16H2,1-2H3,(H,22,24).
What are the key properties of 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide?
2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide has a molecular weight of 392.57 g/mol, XLogP of 2.90, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-ylphenoxy)-N-[(3-morpholin-4-ylthiolan-3-yl)methyl]acetamide is sourced from PubChem (CID 55658478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).